NASA Thermodynamic File Parsing

Objective - To write a code in MATLAB to parse the NASA Thermodynamic file and to calculate the various thermodynamic properties(Cp,H,S)

What to do & find - \"Parse\" is the break down the given set of data or sentence into its component parts and describe there syntactic roles.

In this dataset we have stream of various 53 species(molecule) with co-effecient properties varing from low temperature range to higher temperature range. We have to parse the data to plot the graph of various thermodynamic properties v/s temperature and to calculate the molecular mass of each species.

Steps Involved -

• Coding the load the data into in the MATLAB program.
• Coding to extract the co-effecients present in the program.
• Coding to exrtact the local temperatue and global temperature.
• With extracting the co-effecients and temperature we are calculating the thermodynamic properties(Cp,H,S) of the various species.
• Coding to calculate the molecular weight of different species and to display it in command window.
• Coding to generate the plots,and to save it in different new directory and also change the path of to new directory.

Formulae to calculate the Specific heat(Cp), Enthalpy(H), Entropy(S)

Syntax uses -

1. fgetl - to read the lines present in data sequentially.

2. fopen - to load the data which is given & to perform the read operation by \'r\'

3. strsplit - to split the given string data line to different each string type.

4. str2num - to convert the data of string to number .

5. strfind - to find the the character or symbol in string when defined.

6. linspace - to create set of defined partitions when specified the range.

7. mkdir - to create a new file directory.

8. cd - to change the path of directory from old to new file.

9. strcmp - to compare two strings .

10. fprintf - writes a new line of what command is to be printed.

11. fclose - used to close the current file

Detailed Program of file parsing is given below with explanation

% To parse the given NASA Thermodynamic file, to caluculate molecular mass 
% & plot graph of temperature v/s thermodynamic properties

clear all
close all
clc

% reading the given file
f1 = fopen(\'THERMO.dat\',\'r\');

% reading the subsequent lines present in the file
l1 = fgetl(f1);   % reading the header prt of file i.e line1
l2 = fgetl(f1);   % reading the header prt of file i.e line2

 temp = strsplit(l2,\' \');  % using strsplit to give spaces between the datas present in the line which are of 
                           % string type
 
 global_low_temp = str2double(temp{1});  % converting the temperature to number & 
                                          assigning it to global_low_temp
 global_mid_temp = str2double(temp{2});  % converting the temperature to number & 
                                          assigning it to global_mid_temp
 global_high_temp = str2double(temp{3}); % converting the temperature to number & 
                                          assigning it to global_low_temp

for l =3:5                      % reading the next continous 3 line using for loop .ie. 
                                   line3,4,5
   lines_skipped = fgetl(f1);   % skipping the header files
end

% to read all the 53 species name and store it in \'species_name\'
for i= 1:53                     % main for loop iteration for the 53 species in this loop all the commands are executed
l6 = fgetl(f1);                 % read the line by sequence this fgetl command is used 
a = strsplit(l6,\' \');           % assigning the species name
species_name = a(1);            % at this point \'O\' is considered as a(1) same for all other species

% to find the local temp for species name 

b =strfind(l6,\'.\');                                  % to find the \'.\' operator in the 
                                                       line
local_temp_range = l6(b(1)-3:b(1)+23);               % taking the length of the the 
                                                       temperature range 
local_temperature = strsplit(local_temp_range,\' \') ; %  splitting the temp range with \'\' 

% to convert from cell array to number

local_low_temp = str2num(local_temperature{1});  %200 converting the data from string to 
                                                  number 
local_high_temp = str2num(local_temperature{2}); %3500 converting the data from string 
                                                  to number
local_mid_temp = str2num(local_temperature{3});  %1000 converting the data from string 
                                                   to number

% assigning the above temperatures as temp1,temp2, temp3

temp1 = local_low_temp;      %200 assigning the values to the temp1
temp2 = local_mid_temp ;     %1000 assigning the values to the temp2
temp3 = local_high_temp;     %3500 assigning the values to the temp3

% to find the co-effs of O in line 7 and the same is considered for other species

% co-effs of high temperature

l7 = fgetl(f1);
c = strfind(l7,\'E\');         % reading line 7 to find position where \"E\" is present

cf1 = l7(1:c(1)+3);         % selecting the range & taking it as c(1)
 co_eff1_ht = str2num(cf1); % converting from string to num
 a1 = co_eff1_ht;           % assigning the value in a1
 
 cf2 = l7(c(1)+4:c(2)+3);   % selecting the range & taking it as c(1) & c(2)
 co_eff2_ht = str2num(cf2); % converting from string to num
 a2 = co_eff2_ht;           % assigning the value in a2
 
 cf3 = l7(c(2)+4:c(3)+3);   % selecting the range & taking it as c(2) & c(3)
 co_eff3_ht = str2num(cf3); % converting from string to num
 a3 = co_eff3_ht;           % assigning the value in a3
 
 
 cf4 = l7(c(3)+4:c(4)+3);   %selecting the range & taking it as c(3) & c(4)
 co_eff4_ht = str2num(cf4); % converting from string to num
 a4 = co_eff4_ht;           % assigning the value in a4
 
 
 cf5 = l7(c(4)+4:c(5)+3);   %selecting the range & taking it as c(4) & c(5)
 co_eff5_ht = str2num(cf5); % converting from string to num
 a5 =co_eff5_ht;            % assigning the value in a4
 
 % to find the co-effs of O in line 8
 l8 = fgetl(f1);
 d = strfind(l8,\'E\');      %reading line 8 to find position where \"E\" is present 
 
df1 = l8(1:d(1)+3);        %selecting the range & taking it as d(1)
 co_eff6_ht = str2num(df1);% converting from string to num
 a6 = co_eff6_ht;          % assigning the value in a6
 
 df2 = l8(d(1)+4:d(2)+3);  %selecting the range & taking it as d(1) & d(2)
 co_eff7_ht = str2num(df2);% converting from string to num
 a7 = co_eff7_ht;          % assigning the value in a7
 
 % co-effs of low tempearture
 
 df3 = l8(d(2)+4:d(3)+3);  %selecting the range & taking it as d(2) & d(3)
 co_eff8_lt = str2num(df3);% converting from string to num
 b1 = co_eff8_lt;          % assigning the value in b1
 
 df4 = l8(d(3)+4:d(4)+3);  %selecting the range & taking it as d(3) & d(4)
 co_eff9_lt = str2num(df4);% converting from string to num
 b2 = co_eff9_lt;          % assigning the value in b2
  
 df5 = l8(d(4)+4:d(5)+3);   %selecting the range & taking it as d(4) & d(5)
 co_eff10_lt = str2num(df5);% converting from string to num
 b3 = co_eff10_lt;          % assigning the value in b2
 
 % to find the co-effs of O in line 9
  l9 = fgetl(f1);
 e = strfind(l9,\'E\');       %reading line 9 to find position where \"E\" is present 
 
 ef1 = l9(1:e(1)+3);        %selecting the range & taking it as e(1)
 co_eff11_lt = str2num(ef1);% converting from string to num
 b4 = co_eff11_lt;          % assigning the value in b4
 
 ef2 = l8(e(1)+4:e(2)+3);   %selecting the range & taking it as e(1) & e(2)
 co_eff12_lt = str2num(ef2);% converting from string to num
 b5 = co_eff12_lt;           % assigning the value in b5
 
 ef3 = l8(e(2)+4:d(3)+3);   %selecting the range & taking it as e(2) & e(3)
 co_eff13_lt = str2num(ef3);% converting from string to num
 b6 = co_eff13_lt;          % assigning the value in b5
 
 ef4 = l8(e(3)+4:e(4)+3);   %selecting the range & taking it as e(3) & e(4)
 co_eff14_lt = str2num(ef4);% converting from string to num
 b7 = co_eff14_lt;          % assigning the value in b5
 
% changing the species name to char & assigning it to molecule_name this done
% to create mkdir command to create the directory as it accepts the char data  

  molecule_name = char(species_name);
  
 % calculating specific heat, enthalpy, entropy for co-effs for high temperature and
 % low temperature
 
 temp = linspace(temp1,temp3,100);% temp range from 200 - 3500
 
 R =8.314;                        % universal gas constant
 
 y = 1:length(temp);  % range from 200 - 3500
 for z  = 1:length(y) % elemnts present in the range 200 -3500
 if(temp(z)<=1000)    % selecting the if condition taking mid_temp condition

     % equations at low temperature

     cp = R*(b1 + b2.*(temp) + b3.*(temp.^2) + b4.*(temp.^3) + b5.*(temp.^4));
     H =(R.*temp).*(b1 + b2.*((temp)/2) + b3.*((temp.^2)/3) + b4.*((temp.^3)/4) + b5.*((temp.^4)/5) + (b6)./temp(z));
     S = R*(b1.*(log(temp)) + b2.*(temp) + b3.*((temp.^2)/2) + b4.*((temp.^3)/3) + b5.*((temp.^4)/4) + b7);
     
 else
     % equations for high temperature
     
     cp = R*(a1 + a2.*(temp) + a3.*(temp.^2) + a4.*(temp.^3) + a5.*(temp.^4));
     H =(R.*temp).*(a1 + a2.*((temp)/2) + a3.*((temp.^2)/3) + a4.*((temp.^3)/4) + a5.*((temp.^4)/5) + (a6)./temp(z));
     S = R*(a1.*(log(temp)) + a2.*(temp) + a3.*((temp.^2)/2) + a4.*((temp.^3)/3) + a5.*((temp.^4)/4) + a7);
 end
 end
 
 
 figure(1)                               % storing in figure 1 the output
 plot(temp,cp,\'linewidth\',3,\'color\',\'r\') % plotting temp v/s specific heat
 xlabel(\'temperature\')                   % label along x-axis
 ylabel(\'specific heat\')                 % label along y-axis
 title(\'temperature v/s specific heat\')
 
   
 figure(2)                               % storing in figure 2 the output
 plot(temp,H,\'linewidth\',3,\'color\',\'g\')  % plotting temp v/s enthalpy
 xlabel(\'temperature\')                   % label along x-axis
 ylabel(\'enthalpy\')                      % label along y-axis
 title(\'temperature v/s enthalpy\')
 
 figure(3)                               % storing in figure 3 the output
 plot(temp,S,\'linewidth\',3,\'color\',\'b\')  % plotting temp v/s entropy
 xlabel(\'temperature\')                   % label along x-axis
 ylabel(\'entropy\')                       % label along y-axis
 title(\'temperature v/s entropy\')
 
 % current working directory is C:\\Users\\ADITYA N\\Desktop\\skill_lync,challange
 % it can be known by pwd, changing the file directory to H:\\fileparse_species

% creates the file name as fileparse_species in H drive & gives molecule_name 

 mkdir([\'H:\\fileparse_species_\',molecule_name])
 
% changes the directory from C drive to H drive

 directory = ([\'H:\\fileparse_species_\',molecule_name]);
 cd(directory)

% saves the figure in the particular folder with respective images in.jpg extension

 saveas(figure(1),\'specific heat.jpg\')
 saveas(figure(2),\'enthalpy.jpg\')
 saveas(figure(3),\'entropy.jpg\')
 
 
 % To calculate the molecular weight

fprintf(\'\\n\')                   % prints the command in new line
fprintf(\'molecular weight of \') % prints this sentence in command window
fprintf(molecule_name)          % prints the molecule name in command window
fprintf(\' : \')                  % prints the semi-colon in the commamd window

elements = [\'O\',\'H\',\'N\',\'C\',\'A\'];      % these are the atoms which are used to form a molecule
element_weight = [16 1 14 12 40];      % these ate the atomic weight of the above atoms
m = 0;                                 % considering the molecular mass as 0 initially

 % considering the values of each molecule

  for i = 1:length(molecule_name)    % here the molecules are selected in the data file sequnce wise(O,O2,H2O,CO,CO2...)
     for j = 1:length(elements)      % here the each atoms are compared with  molecules present in data = [\'O\',\'H\',\'N\',\'C\',\'A\']
         if strcmp(molecule_name(i),elements(j)) % here the each molecule is compared with each atom 
                                     % i.e. in case-1: the oxygen molecule is compared with all the elements prsesnt
             m = m+element_weight(j);% it is added here ant the o/p is stored in m
             position = j;           % the positon of the atom is captured here
                                     % i.e.the postion of the molecule(O) is matched with elements here it is 1
         end
     end
     
 % this command is executed when molecules like H2O,CO2,CH3 etc.. comes into picture here the numeric 2 is taken 
 %in case of H2O and 2>1 converted to string to number the abobe calculated atom weight is taken in m & that positon of the 
 % atom present in elements = [\'O\',\'H\',\'N\',\'C\',\'A\'] is considered and the atomic wight w.rt. this positon is added.
 %(n-1) is considered here because of in H2O O is calculated once in the first if condition here n=2-1 so that O should not
 % be added here again.
     n =str2num(molecule_name(i)); 
      if n>1
         m = m + element_weight(position)*(n-1);
      end
  end
  fprintf(\'%d\',m); %d is for digit
 
 end
 
  fclose(f1); % it is used to close the file.

Plot for CO2 -

Plot for H2O -

The folder cobtaining the vatous plots of differnt species is shown below

Below screen shot of calculated molecular mass of the species in command window